2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide

C28H31N3O5 — CID 45187486

About 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide

2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (PubChem CID 45187486) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
• PubChem CID: 45187486
• Molecular Formula: C28H31N3O5
• Molecular Weight: 489.57 g/mol
• Exact Mass: 489.23
• IUPAC Name: 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide
• SMILES: COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)C(OC)c2ccccc2)C1
• InChI: InChI=1S/C28H31N3O5/c1-19-23(16-30-28(33)27(35-3)20-9-5-4-6-10-20)22-13-14-31(17-21(22)15-29-19)26(32)18-36-25-12-8-7-11-24(25)34-2/h4-12,15,27H,13-14,16-18H2,1-3H3,(H,30,33)
• InChIKey: XGTOTMWZXLBIGA-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.57
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?

The IUPAC name of 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide (CID 45187486) is 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide.

What is the SMILES notation for 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?

The canonical SMILES for 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is COc1ccccc1OCC(=O)N1CCc2c(cnc(C)c2CNC(=O)C(OC)c2ccccc2)C1.

What is the InChIKey of 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?

The InChIKey is XGTOTMWZXLBIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19-23(16-30-28(33)27(35-3)20-9-5-4-6-10-20)22-13-14-31(17-21(22)15-29-19)26(32)18-36-25-12-8-7-11-24(25)34-2/h4-12,15,27H,13-14,16-18H2,1-3H3,(H,30,33).

What are the key properties of 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide?

2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide has a molecular weight of 489.57 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[[7-[2-(2-methoxyphenoxy)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 45187486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).